4-ethyl-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-ethyl-5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 4-ethyl-5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1[S-])C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H24N4S/c1-2-21-16(18-19-17(21)22)13-20-10-8-15(9-11-20)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,22)